CID 30062

6,7-dimethoxy-1-pentylisoquinoline hydrochloride

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCCCCC1=NC=CC2=CC(=C(C=C21)OC)OC
InChI
InChI=1S/C16H21NO2/c1-4-5-6-7-14-13-11-16(19-3)15(18-2)10-12(13)8-9-17-14/h8-11H,4-7H2,1-3H3
InChIKey
JIMKWKFFZMCETN-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-pentylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.15723 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 161.0
[M+Na]+ 282.14645 175.6
[M+NH4]+ 277.19105 169.5
[M+K]+ 298.12039 167.1
[M-H]- 258.14995 163.7
[M+Na-2H]- 280.13190 167.5
[M]+ 259.15668 164.0
[M]- 259.15778 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe